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Compile Data Set for Download or QSAR

Found 54 hits of ic50 data for polymerid = 6001   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158508
PNG
(US9034574, XVII)
Show SMILES Oc1ccc(cc1)C1NN=C(S1)c1ccccc1 |c:10|
Show InChI InChI=1S/C14H12N2OS/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,14,16-17H
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US Patent
n/an/a 11n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158511
PNG
(US9034574, XXI)
Show SMILES Clc1ccc(cc1)C1NN=C(S1)c1ccccc1 |c:10|
Show InChI InChI=1S/C14H11ClN2S/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9,14,17H
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n/an/a 210n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158510
PNG
(US9034574, XX)
Show SMILES OC1(CC(=NN1C(=S)c1ccccc1)c1ccccc1)C(F)(F)F |c:3|
Show InChI InChI=1S/C17H13F3N2OS/c18-17(19,20)16(23)11-14(12-7-3-1-4-8-12)21-22(16)15(24)13-9-5-2-6-10-13/h1-10,23H,11H2
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n/an/a 470n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158512
PNG
(US9034574, XXII)
Show SMILES Oc1ccc2ccccc2c1C1NN=C(S1)c1ccccc1 |c:15|
Show InChI InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H
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n/an/a 670n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114637
PNG
(7-Methoxy-3-phenyl-2-p-tolyl-3H-9-oxa-1,3-diaza-an...)
Show SMILES COc1ccc2c(c1)oc1nc(-c3ccc(C)cc3)n(-c3ccccc3)c(=O)c1c2=O
Show InChI InChI=1S/C25H18N2O4/c1-15-8-10-16(11-9-15)23-26-24-21(25(29)27(23)17-6-4-3-5-7-17)22(28)19-13-12-18(30-2)14-20(19)31-24/h3-14H,1-2H3
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n/an/a 988n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158506
PNG
(US9034574, II)
Show SMILES Oc1cccc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
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n/an/a 3.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114652
PNG
(CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothia...)
Show SMILES CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13N3OS2/c1-8(19)17-14-13(9-6-16-7-12(9)21-14)15-18-10-4-2-3-5-11(10)20-15/h2-5,16H,6-7H2,1H3,(H,17,19)
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n/an/a 4.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM79511
PNG
(MLS001116571 | N-(2-chlorobenzyl)-3-[(3-keto-4H-1,...)
Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C19H19ClN2O4S2/c1-12(19(24)21-9-13-4-2-3-5-15(13)20)11-28(25,26)14-6-7-17-16(8-14)22-18(23)10-27-17/h2-8,12H,9-11H2,1H3,(H,21,24)(H,22,23)
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n/an/a 4.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM50284797
PNG
(7-Methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxo...)
Show SMILES CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
Show InChI InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM50699
PNG
((2Z,3Z)-2-[4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-...)
Show SMILES COc1ccc(cc1OC)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C20H14N3O5S/c1-27-18-6-4-13(9-19(18)28-2)15-11-29-20(22-15)14(10-21)7-12-3-5-17(24)16(8-12)23(25)26/h3-9,11H,1-2H3/q-1/p+1/b14-7+
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n/an/a 4.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM53262
PNG
(2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaph...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14ClNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/a 4.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114653
PNG
(CHEMBL1719929 | MLS003178552 | N-[3-(1,3-benzothia...)
Show SMILES CN1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10(21)18-16-15(11-7-8-20(2)9-14(11)23-16)17-19-12-5-3-4-6-13(12)22-17/h3-6H,7-9H2,1-2H3,(H,18,21)
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n/an/a 5.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158507
PNG
(US9034574, Add | US9034574, III)
Show SMILES Cn1c2ccccc2n2cc(nc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O2/c1-18-14-4-2-3-5-15(14)19-10-13(17-16(18)19)11-6-8-12(9-7-11)20(21)22/h2-10H,1H3
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US Patent
n/an/a 6.14E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114643
PNG
(1-[2-(dimethylamino)ethylamino]-4-(hydroxymethyl)-...)
Show SMILES CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12
Show InChI InChI=1S/C18H20N2O3S/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3
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n/an/a 6.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM83853
PNG
(7-chloranyl-2,3-dihydroimidazo[1,2-f]phenanthridin...)
Show SMILES Clc1ccc2N3CCN=C3c3ccccc3-c2c1 |c:8|
Show InChI InChI=1S/C15H11ClN2/c16-10-5-6-14-13(9-10)11-3-1-2-4-12(11)15-17-7-8-18(14)15/h1-6,9H,7-8H2
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n/an/a 6.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM79562
PNG
(1,2,4,6-tetraphenylpyridin-1-ium;perchlorate | MLS...)
Show SMILES c1ccc(cc1)-c1cc(-c2ccccc2)[n+](-c2ccccc2)c(c1)-c1ccccc1
Show InChI InChI=1S/C29H22N/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25/h1-22H/q+1
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n/an/a 6.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM89192
PNG
(3-(diethylamino)-N-(9,10-diketo-1-anthryl)propiona...)
Show SMILES CCN(CC)CCC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C21H22N2O3/c1-3-23(4-2)13-12-18(24)22-17-11-7-10-16-19(17)21(26)15-9-6-5-8-14(15)20(16)25/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
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n/an/a 7.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM83394
PNG
(3-benzyl-4-chloro-7-methyl-1H-1,8-naphthyridine-2-...)
Show SMILES Cc1ccc2c(Cl)c(Cc3ccccc3)c(=S)[nH]c2n1
Show InChI InChI=1S/C16H13ClN2S/c1-10-7-8-12-14(17)13(16(20)19-15(12)18-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19,20)
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n/an/a 8.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM83852
PNG
(2,3-dihydroimidazo[1,2-f]phenanthridine | Imidazo[...)
Show SMILES C1CN2C(=N1)c1ccccc1-c1ccccc21 |c:3|
Show InChI InChI=1S/C15H12N2/c1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17/h1-8H,9-10H2
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n/an/a 8.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM89488
PNG
(MLS002702308 | N-[2-(dimethylamino)ethyl]-8-methox...)
Show SMILES COc1cccc2nc3c(cccc3cc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-7-4-6-13-12-15-16(21-18(13)14)8-5-9-17(15)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,23)
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n/an/a 8.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114645
PNG
(1-[2-(dimethylamino)ethylamino]-4-methyl-7-oxidany...)
Show SMILES CN(C)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12
Show InChI InChI=1S/C18H20N2O2S/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16/h4-7,10,19,21H,8-9H2,1-3H3
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n/an/a 9.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114651
PNG
(CHEMBL1716096 | MLS002607798 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1CCc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2CC1
Show InChI InChI=1S/C20H23N3OS2/c1-12(2)23-10-8-14-16(9-11-23)25-19(21-13(3)24)18(14)20-22-15-6-4-5-7-17(15)26-20/h4-7,12H,8-11H2,1-3H3,(H,21,24)
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n/an/a 9.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114640
PNG
(2-[2,4-diphenyl-6-(p-tolyl)pyridin-1-ium-1-yl]benz...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1-c1ccccc1C(O)=O)-c1ccccc1 |(.83,9.01,;2.16,9.78,;2.16,11.32,;3.49,12.09,;4.83,11.32,;4.83,9.78,;3.49,9.01,;6.16,12.09,;6.16,13.63,;7.5,14.4,;8.83,13.63,;8.83,12.09,;10.35,12.36,;11.34,11.18,;12.85,11.45,;13.38,12.89,;12.39,14.07,;10.87,13.81,;7.5,11.32,;7.5,9.78,;6.16,9.01,;6.16,7.47,;7.5,6.7,;8.83,7.47,;8.83,9.01,;10.35,8.74,;10.87,7.3,;11.34,9.92,;7.5,15.94,;8.83,16.71,;8.83,18.25,;7.5,19.02,;6.16,18.25,;6.16,16.71,)|
Show InChI InChI=1S/C31H23NO2/c1-22-16-18-25(19-17-22)30-21-26(23-10-4-2-5-11-23)20-29(24-12-6-3-7-13-24)32(30)28-15-9-8-14-27(28)31(33)34/h2-21H,1H3/p+1
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n/an/a 1.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM48851
PNG
(2-[6-(2-fluorobenzyl)-4-keto-5,7-dimethyl-pyrrolo[...)
Show SMILES Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
Show InChI InChI=1S/C23H17F5N4O2/c1-11-14-8-29-32(10-18(33)30-22-20(27)16(25)7-17(26)21(22)28)23(34)19(14)12(2)31(11)9-13-5-3-4-6-15(13)24/h3-8H,9-10H2,1-2H3,(H,30,33)
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114650
PNG
(MLS002607797 | N-[3-(1,3-benzothiazol-2-yl)-5,6,7,...)
Show SMILES CC(=O)Nc1sc2CNCCCc2c1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10(21)19-16-15(11-5-4-8-18-9-14(11)23-16)17-20-12-6-2-3-7-13(12)22-17/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,19,21)
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM72391
PNG
(2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazi...)
Show SMILES CCN(CC)CCn1nc2-c3ccccc3-c3cccc(c23)c1=O
Show InChI InChI=1S/C20H21N3O/c1-3-22(4-2)12-13-23-20(24)17-11-7-10-15-14-8-5-6-9-16(14)19(21-23)18(15)17/h5-11H,3-4,12-13H2,1-2H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114642
PNG
(2,3-dimethoxy-6-[2-[(2S)-1-methyl-2-pyrrolidinyl]e...)
Show SMILES COc1cc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c2cc1OC
Show InChI InChI=1S/C22H26N2O3S/c1-24-10-4-5-15(24)8-9-23-14-6-7-16-20(11-14)28-21-13-19(27-3)18(26-2)12-17(21)22(16)25/h6-7,11-13,15,23H,4-5,8-10H2,1-3H3/t15-/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114634
PNG
(MLS000402538 | N-[2-amino-3-(1,3-benzothiazol-2-yl...)
Show SMILES Nc1c(c(O)cn1NC(=O)c1c[nH]c2ccccc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H15N5O2S/c21-18-17(20-23-14-7-3-4-8-16(14)28-20)15(26)10-25(18)24-19(27)12-9-22-13-6-2-1-5-11(12)13/h1-10,22,26H,21H2,(H,24,27)
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n/an/a 1.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114646
PNG
(MLS002702314 | N-[2-(dimethylamino)ethyl]-2-(4-pyr...)
Show SMILES CN(C)CCNC(=O)c1cccc2nc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C17H19N5O/c1-22(2)11-10-19-17(23)13-4-3-5-14-15(13)21-16(20-14)12-6-8-18-9-7-12/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,21)
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n/an/a 1.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114638
PNG
(4-(3-Dimethylamino-propylamino)-benzo[h]quinoline-...)
Show SMILES CCOC(=O)c1cnc2c(ccc3ccccc23)c1NCCCN(C)C
Show InChI InChI=1S/C21H25N3O2/c1-4-26-21(25)18-14-23-19-16-9-6-5-8-15(16)10-11-17(19)20(18)22-12-7-13-24(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,22,23)
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n/an/a 1.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114644
PNG
(1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihyd...)
Show SMILES COc1cc(C)cc2c1c1cc(OC)c3c(O)ccc(C4OC(C)C(O)C(C)(O)C4O)c3c1oc2=O
Show InChI InChI=1S/C27H28O9/c1-11-8-15-19(17(9-11)33-4)14-10-18(34-5)21-16(28)7-6-13(20(21)22(14)36-26(15)31)23-25(30)27(3,32)24(29)12(2)35-23/h6-10,12,23-25,28-30,32H,1-5H3
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n/an/a 1.74E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM47509
PNG
(5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquin...)
Show SMILES [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2
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n/an/a 2.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114649
PNG
(CHEMBL1698064 | MLS002607791 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1Cc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C18H19N3OS2/c1-10(2)21-8-12-15(9-21)24-17(19-11(3)22)16(12)18-20-13-6-4-5-7-14(13)23-18/h4-7,10H,8-9H2,1-3H3,(H,19,22)
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n/an/a 2.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM97005
PNG
(MLS001199163 | N',N'-diethyl-N-(2-pyridin-4-yl-[1,...)
Show SMILES CCN(CC)CCCNc1nc2ccccc2c2nc(nn12)-c1ccncc1
Show InChI InChI=1S/C21H25N7/c1-3-27(4-2)15-7-12-23-21-24-18-9-6-5-8-17(18)20-25-19(26-28(20)21)16-10-13-22-14-11-16/h5-6,8-11,13-14H,3-4,7,12,15H2,1-2H3,(H,23,24)
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n/an/a 2.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114641
PNG
(MLS001097547 | N-(6-amino-1-butyl-2,4-diketo-pyrim...)
Show SMILES CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H29N5O3/c1-3-5-14-27(19-20(24)28(15-6-4-2)23(31)25-21(19)29)22(30)17-10-9-11-18(16-17)26-12-7-8-13-26/h7-13,16H,3-6,14-15,24H2,1-2H3,(H,25,29,31)
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n/an/a 3.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114639
PNG
(6,8-Dimethyl-4-(3-morpholin-4-yl-propylamino)-quin...)
Show SMILES CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCCN1CCOCC1
Show InChI InChI=1S/C21H29N3O3/c1-4-27-21(25)18-14-23-19-16(3)12-15(2)13-17(19)20(18)22-6-5-7-24-8-10-26-11-9-24/h12-14H,4-11H2,1-3H3,(H,22,23)
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n/an/a 3.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114636
PNG
(1-[(4-methylphenyl)methyl]-4-oxidanyl-3-(phenylmet...)
Show SMILES Cc1ccc(Cn2ccc(O)c(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C20H19NO2/c1-15-7-9-17(10-8-15)14-21-12-11-19(22)18(20(21)23)13-16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114635
PNG
(4-chloranyl-8-methyl-N-(3-pyrrolidin-1-ylpropyl)th...)
Show SMILES Cc1ccc2nc(Cl)c3cc(sc3c2c1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C20H22ClN3OS/c1-13-5-6-16-14(11-13)18-15(19(21)23-16)12-17(26-18)20(25)22-7-4-10-24-8-2-3-9-24/h5-6,11-12H,2-4,7-10H2,1H3,(H,22,25)
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n/an/a 3.73E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM158509
PNG
(US9034574, XVIII)
Show SMILES COc1cc(O)cc(Br)c1\C=N\Nc1nc2ccccc2s1
Show InChI InChI=1S/C15H12BrN3O2S/c1-21-13-7-9(20)6-11(16)10(13)8-17-19-15-18-12-4-2-3-5-14(12)22-15/h2-8,20H,1H3,(H,18,19)/b17-8+
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US Patent
n/an/a 3.80E+4n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114648
PNG
(5-(1-butyl-1,2,3,4-tetrazol-5-yl)-1-(3-imidazol-1-...)
Show SMILES CCCCn1nnnc1C1(C)CCC(=O)N1CCCn1ccnc1
Show InChI InChI=1S/C16H25N7O/c1-3-4-11-23-15(18-19-20-23)16(2)7-6-14(24)22(16)10-5-9-21-12-8-17-13-21/h8,12-13H,3-7,9-11H2,1-2H3
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n/an/a 4.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM114647
PNG
(3-[6-[2-(dimethylamino)phenyl]-8-formamido-3-imida...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc2c(NC=O)cc(cn12)-c1ccccc1N(C)C
Show InChI InChI=1S/C25H25N5O2/c1-28(2)22-11-6-5-10-20(22)19-13-21(27-16-31)24-26-14-23(30(24)15-19)17-8-7-9-18(12-17)25(32)29(3)4/h5-16H,1-4H3,(H,27,31)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM46563
PNG
(4-chloranyl-N-[1-(phenylmethyl)pyrrolo[3,2-b]quino...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C23H17ClN4O2S/c24-17-10-12-18(13-11-17)31(29,30)27-22-14-21-23(26-20-9-5-4-8-19(20)25-21)28(22)15-16-6-2-1-3-7-16/h1-14,27H,15H2
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM50533
PNG
(3,4,5-trihydroxy-N'-((1E)-{4-methoxy-3-[(4-nit...)
Show SMILES COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N5O7/c1-31-17-3-2-11(4-13(17)9-23-10-14(8-21-23)24(29)30)7-20-22-19(28)12-5-15(25)18(27)16(26)6-12/h2-8,10,25-26H,9H2,1H3,(H2,22,27,28)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM82809
PNG
(4-[[(Z)-[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diaz...)
Show SMILES NC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 |w:8.7|
Show InChI InChI=1S/C17H14N4O5/c18-14(22)10-3-5-11(6-4-10)19-8-13-15(23)20-17(25)21(16(13)24)9-12-2-1-7-26-12/h1-8,19H,9H2,(H2,18,22)(H,20,23,25)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM48428
PNG
(3-(2-chlorophenyl)-N-(2-furanylmethyl)-5-methyl-4-...)
Show SMILES Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-10-14(16(20)18-9-11-5-4-8-21-11)15(19-22-10)12-6-2-3-7-13(12)17/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM76030
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2...)
Show SMILES O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H15N3O6/c21-8-7-18(25)22-14-4-1-12(2-5-14)20(27)29-10-16(24)13-3-6-17-15(9-13)23-19(26)11-28-17/h1-6,9H,7,10-11H2,(H,22,25)(H,23,26)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM40004
PNG
((4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2...)
Show SMILES O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
Show InChI InChI=1S/C24H18N2O4S/c27-22-11-17(25-24-26(22)19-6-1-2-7-21(19)31-24)13-30-23(28)10-16-12-29-20-9-15-5-3-4-14(15)8-18(16)20/h1-2,6-9,11-12H,3-5,10,13H2
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM54065
PNG
(MLS000877953 | N-(6-amino-1-benzyl-2,4-diketo-pyri...)
Show SMILES CCCN(C(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N4O3S/c1-2-11-25(21(28)17-12-15-9-6-10-16(15)30-17)18-19(23)26(22(29)24-20(18)27)13-14-7-4-3-5-8-14/h3-5,7-8,12H,2,6,9-11,13,23H2,1H3,(H,24,27,29)
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n/an/a 4.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
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